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Application

Discovery Studio 0.8581523161476053 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06928645294725956 Amorphous Cell 0.2823164426059979 Blends 0.002068252326783868 CASTEP 0.40296449500172354 CDOCKER 0.16339193381592554 CHARMm 0.2581868321268528 COMPASS 0.3557394002068252 COMPASS III 0.0803171320234402 COSMObase 0.003447087211306446 COSMOconf 0.005860048259220959 COSMOperm 0.001034126163391934 COSMOplex 0.0 COSMOquick 0.0013788348845225785 COSMOtherm 0.07204412271630473 Cantera 0.0 Catalyst 0.07135470527404343 Classical Simulations 1.0 Conformers 3.447087211306446E-4 Crystallization 0.06963116166839022 DFTB Plus 0.007238883143743537 DMol3 0.17752499138228198 DPD 0.0031023784901758012 Discover 0.004136504653567736 Forcite 0.551878662530162 GULP 0.02102723198896932 Kinetix 3.447087211306446E-4 LUDI 0.003791795932437091 LibDock 0.06825232678386763 LigandFit 0.0031023784901758012 MODELER 0.2537056187521544 MesoDyn 0.0013788348845225785 Mesocite 0.002757669769045157 Mesoscale 0.007238883143743537 Morphology 0.016890727335401586 ONETEP 0.001034126163391934 Polymorph 0.0013788348845225785 QSAR 0.001723543605653223 Quantum Mechanics 0.5694588073078248 Reflex 0.04894863840055153 Reflex Plus 0.001034126163391934 Semi-empirical 0.008962426749396759 Sorption 0.05480868665977249 Synthia 0.0013788348845225785 TURBOMOLE 3.447087211306446E-4 VAMP 0.0013788348845225785 Visualization 0.650810065494657 X-Cell 0.001723543605653223 ZDOCK 0.027921406411582212

Year

2025 0.0

Keywords

target 1.0 potential 0.3077767325180307 analysis 0.20476638444653497 docking 0.19222326748196927 between 0.16008153026026967 visualization 0.13530887425525243 novel 0.09767952336155535 promising 0.08795860771401694 energy 0.08733145186578865 binding 0.07196613358419568 cell 0.06240200689871433 stability 0.04687989965506428 including 0.043273753527751646 activity 0.040765130134838505 performance 0.034807149576669805 experimental 0.03057384760112888 development 0.022891188460332394 strong 0.02085293195359047 interaction 0.020696142991533398 effective 0.017560363750391973 synthesized 0.017560363750391973 mechanism 0.015051740357478834 enhanced 0.01191596111633741 synthesis 0.0 therapeutic 0.0
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